(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one

CAS Registry Number®

50299-45-1

CAS Name

(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one

Molecular Formula

C28H46O8

Molecular Mass

510.66

Cite this Page

(2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50299-45-1 (retrieved 2025-05-23) (CAS RN: 50299-45-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H46O8/c1-15(23(2,3)33)11-21(31)26(6,34)20-8-10-27(35)17-12-22(32)28(36)14-19(30)18(29)13-25(28,5)16(17)7-9-24(20,27)4/h12,15-16,18-21,29-31,33-36H,7-11,13-14H2,1-6H3/t15-,16+,18+,19-,20+,21-,24-,25-,26-,27-,28-/m1/s1

InChIKey

InChIKey=LMQKRCYKYDRRFC-KDZLJHQNSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](O)(C(=O)C3)C[C@@H](O)[C@@H](O)C4)(CC[C@]1(C)[C@@]([C@@]([C@@H](C[C@H](C(C)(C)O)C)O)(C)O)(CC2)[H])[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(O)CC(C)C(O)(C)C)C4(C)CC(O)C(O)CC14O

Other Names for this Substance

  • Ergost-7-en-6-one, 2,3,5,14,20,22,25-heptahydroxy-, (2β,3β,5β,22R,24R)-
  • (2β,3β,5β,22R,24R)-2,3,5,14,20,22,25-Heptahydroxyergost-7-en-6-one
  • Dacrysterone

CAS INSIGHTSTM
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